EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	KLE4X83TYM
EPA CompTox	DTXSID3063091

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

KLE4X83TYM

EPA CompTox

DTXSID3063091


InChI Key	GJIYNWRLGOMDEX-UHFFFAOYSA-N
Smiles	Cl[Si](O[Si](O[Si](Cl)(C)C)(C)C)(C)C
InChI	InChI=1/C6H18Cl2O2Si3/c1-11(2,7)9-13(5,6)10-12(3,4)8/h1-6H3

InChI Key

GJIYNWRLGOMDEX-UHFFFAOYSA-N

Smiles

Cl[Si](O[Si](O[Si](Cl)(C)C)(C)C)(C)C

InChI

InChI=1/C6H18Cl2O2Si3/c1-11(2,7)9-13(5,6)10-12(3,4)8/h1-6H3

Property Name	Value
Molecular Formula	C6H18Cl2O2Si3
Molecular Weight	276.0
AlogP	3.6
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	18.46
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C6H18Cl2O2Si3

Molecular Weight

276.0

AlogP

3.6

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

18.46

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	3582-71-6
NORMAN SUSDAT
FDA SRS	KLE4X83TYM
PubChem	77131

Resources

Reference

CAS NUMBER

3582-71-6

NORMAN SUSDAT

FDA SRS

KLE4X83TYM

PubChem

77131

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

1,5-DICHLORO-1,1,3,3,5,5-HEXAMETHYLTRISILOXANE

Structure

Physicochemical Descriptors

Cross References